2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

C13H19F2IN4 — CID 120762620

IUPAC2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC(F)(F)CC1)Nc1ccccn1
InChIInChI=1S/C13H18F2N4.HI/c14-13(15)6-4-10(5-7-13)9-18-12(16)19-11-3-1-2-8-17-11;/h1-3,8,10H,4-7,9H2,(H3,16,17,18,19);1H
InChIKeyBDQLBHHUPARYFL-UHFFFAOYSA-N
MW396.22 g/mol
LogP3.25
Rot. Bonds3

About 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 120762620) has the molecular formula C13H19F2IN4 and a molecular weight of 396.22 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID120762620
Molecular FormulaC13H19F2IN4
Molecular Weight396.22 g/mol
Exact Mass396.06
IUPAC Name2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC(F)(F)CC1)Nc1ccccn1
InChIInChI=1S/C13H18F2N4.HI/c14-13(15)6-4-10(5-7-13)9-18-12(16)19-11-3-1-2-8-17-11;/h1-3,8,10H,4-7,9H2,(H3,16,17,18,19);1H
InChIKeyBDQLBHHUPARYFL-UHFFFAOYSA-N
XLogP3.25
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120727880
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119161153
2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 120514493
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[(3,3-difluorocyclopentyl)methyl]-1-phenylguanidine
CID 120665916
2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 122097073
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119118280
2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119147770

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 120762620) is 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is I.N/C(=N\CC1CCC(F)(F)CC1)Nc1ccccn1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is BDQLBHHUPARYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4.HI/c14-13(15)6-4-10(5-7-13)9-18-12(16)19-11-3-1-2-8-17-11;/h1-3,8,10H,4-7,9H2,(H3,16,17,18,19);1H.
What are the key properties of 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 396.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 120762620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).